4-(4-methylphenyl)piperidine

• ChemBase ID: 800996
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C1(CCNCC1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C1CCNCC1
• InChI: InChI=1S/C12H17N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3
• InChIKey: UWILYNPREMNRTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methylphenyl)piperidine
• IUPAC Traditional name: 4-(4-methylphenyl)piperidine
• Synonyms: 4-p-Tolyl-piperidine

Database IDs

• CAS Number: 59083-39-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6309123
• LogD (pH = 7.4): 0.0140628
• Log P: 2.591732
• Molar Refractivity: 56.5202 cm^3
• Polarizability: 22.077084 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%